5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide

C19H29N3O2 — CID 771427

IUPAC5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-4-7-18(23)21-15-8-9-17(22-10-5-6-11-22)16(12-15)19(24)20-13-14(2)3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyCRZJGZIBKLWBTH-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.41
Rot. Bonds7

About 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide

5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 771427) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID771427
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-4-7-18(23)21-15-8-9-17(22-10-5-6-11-22)16(12-15)19(24)20-13-14(2)3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyCRZJGZIBKLWBTH-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751065
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
CID 42751073
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 1063091
N-(2-methylpropyl)-5-(2-phenylbutanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 42751052
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-(4-chlorobutanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4297943
5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 5152082
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(hexanoylamino)-N-(2-methylpropyl)benzamide
CID 3951145
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-5-(octanoylamino)benzamide
CID 3706920
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)-4-pyrrolidin-1-ylanilino]butanoate
CID 42751125
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157

Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide (CID 771427) is 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide is CCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is CRZJGZIBKLWBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-7-18(23)21-15-8-9-17(22-10-5-6-11-22)16(12-15)19(24)20-13-14(2)3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 331.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 771427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).